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devcontainer.yml
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Fix: compile cuda without openmp (#5488) Container #2270: Commit 8e8cad2 pushed by mohanchen
1h 3m 22s develop
develop
1h 3m 22s
Refactor: move io_npz to ModuleIO (#5475) Container #2269: Commit dcff74d pushed by mohanchen
48m 39s develop
develop
48m 39s
update code format of Exx_LIP (#5473) Container #2268: Commit 3354927 pushed by mohanchen
47m 59s develop
develop
47m 59s
Add gpu recorder (#5471) Container #2267: Commit 890fe37 pushed by mohanchen
2h 7m 45s develop
develop
2h 7m 45s
Fix: let the coverage test pass without checking for its correctness … Container #2266: Commit a2fdb95 pushed by mohanchen
1h 4m 29s develop
develop
1h 4m 29s
Fix the repeated initial guess and use diagonal precondition in LR::H… Container #2265: Commit 4f1be57 pushed by mohanchen
1h 3m 12s develop
develop
1h 3m 12s
Fix: Compiling error for ROCM (#5464) Container #2264: Commit 9718c41 pushed by mohanchen
1h 2m 22s develop
develop
1h 2m 22s
Refactor: remove nscf() (#5455) Container #2263: Commit 9cc7f89 pushed by mohanchen
1h 2m 1s develop
develop
1h 2m 1s
Perf: minor optimization in module_lr (#5435) Container #2262: Commit 2a40059 pushed by mohanchen
1h 3m 55s develop
develop
1h 3m 55s
Toolchain update: use new intel-OneAPI compiler as default (#5458) Container #2261: Commit 05de419 pushed by WHUweiqingzhou
1h 3m 26s develop
develop
1h 3m 26s
Feature: change the default value of printe from 100 to `scf_nmax… Container #2260: Commit 22b85f9 pushed by dyzheng
1h 3m 46s develop
develop
1h 3m 46s
Refactor:Replace the current fft with templates and polymorphism (#5410) Container #2259: Commit 7c46674 pushed by mohanchen
3h 17m 42s develop
develop
3h 17m 42s
Fix R-index mismatch in lr_util_hcontainer (#5456) Container #2258: Commit 8d6e593 pushed by mohanchen
3h 26m 58s develop
develop
3h 26m 58s
Code: divide charge_mixing.cpp into some files (#5427) Container #2257: Commit 2f15c55 pushed by mohanchen
3h 26m 20s develop
develop
3h 26m 20s
Add function to support reading cereal binary format HexxR files. (#5… Container #2256: Commit 42492ee pushed by mohanchen
3h 26m 18s develop
develop
3h 26m 18s
update toolchain LibComm sha256 (#5454) Container #2255: Commit 67e6cbb pushed by mohanchen
3h 27m 21s develop
develop
3h 27m 21s
fixing the sigma value in example input files and adding comments to … Container #2254: Commit 4835dd0 pushed by mohanchen
3h 34m 35s develop
develop
3h 34m 35s
Refactor: runner() of esolver_ks (#5445) Container #2253: Commit c03c879 pushed by mohanchen
2h 32m 32s develop
develop
2h 32m 32s
fix dsygvx (#5443) Container #2252: Commit 32ba8d4 pushed by mohanchen
37m 22s develop
develop
37m 22s
Fix blas_connector.cpp warnings and math_kernel_op.cu warnings (#5444) Container #2251: Commit cead7ce pushed by mohanchen
37m 14s develop
develop
37m 14s
fix the conficit between mixing_restart and scf_os_stop (#5440) Container #2250: Commit b63aad4 pushed by dyzheng
47m 54s develop
develop
47m 54s
Fix: potential segmentation fault in DFTU force&stress (#5439) Container #2249: Commit 2d3bf57 pushed by WHUweiqingzhou
37m 30s develop
develop
37m 30s
Feature：Now sDFT support GPU (#5423) Container #2248: Commit 7da86cd pushed by mohanchen
47m 54s develop
develop
47m 54s
Integration test: Rename folders for consistency with get_pchg and … Container #2247: Commit 83efe85 pushed by mohanchen
50m 7s develop
develop
50m 7s
Feature: add interface Gint::psir_func (#5380) Container #2246: Commit 3da2868 pushed by mohanchen
49m 35s develop
develop
49m 35s